diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 631cb3985..027bc75f5 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -1,6 +1,5 @@ --- name: main -# Automatically cancel a previous run. concurrency: group: ${{ github.head_ref || github.run_id }} cancel-in-progress: true @@ -13,39 +12,34 @@ on: - '*' jobs: run-tests-linux: - name: Run tests for ${{ matrix.os }} on ${{ matrix.python-version }} - runs-on: ${{ matrix.os }} + name: Run tests on ubuntu-latest py${{ matrix.python-version }} + runs-on: ubuntu-latest strategy: fail-fast: false matrix: - os: - - ubuntu-latest python-version: - - '3.10' - - '3.11' - - '3.12' - - '3.13' + - '312' + - '313' + - '314' steps: - uses: actions/checkout@v4 - - name: create build environment - uses: mamba-org/setup-micromamba@v1 + - uses: prefix-dev/setup-pixi@v0.9.4 with: - environment-file: ./.tools/envs/testenv-linux.yml - cache-environment: true - create-args: | - python=${{ matrix.python-version }} - - name: run pytest - shell: bash -l {0} - run: | - micromamba activate optimagic - pytest --cov-report=xml --cov=./ + pixi-version: v0.65.0 + cache: true + cache-write: ${{ github.event_name == 'push' && github.ref_name == 'main' }} + frozen: true + environments: tests-linux-py${{ matrix.python-version }} + - name: Run pytest + shell: bash -el {0} + run: pixi run -e tests-linux-py${{ matrix.python-version }} tests-with-cov - name: Upload coverage report. - if: runner.os == 'Linux' && matrix.python-version == '3.10' + if: matrix.python-version == '312' uses: codecov/codecov-action@v4 with: token: ${{ secrets.CODECOV_TOKEN }} run-tests-win-and-mac: - name: Run tests for ${{ matrix.os }} on ${{ matrix.python-version }} + name: Run tests on ${{ matrix.os }} py${{ matrix.python-version }} runs-on: ${{ matrix.os }} strategy: fail-fast: false @@ -54,163 +48,89 @@ jobs: - macos-latest - windows-latest python-version: - - '3.10' - - '3.11' - - '3.12' - - '3.13' - steps: - - uses: actions/checkout@v4 - - name: create build environment - uses: mamba-org/setup-micromamba@v1 - with: - micromamba-version: 1.5.6-0 - environment-file: ./.tools/envs/testenv-others.yml - cache-environment: true - create-args: | - python=${{ matrix.python-version }} - - name: run pytest - shell: bash -l {0} - run: | - micromamba activate optimagic - pytest -m "not slow and not jax" - run-tests-with-old-pandas: - # This job is only for testing if optimagic works with pandas<2, as many pandas - # functions we use will be deprecated in pandas 3. optimagic's behavior for older - # verions is handled in src/optimagic/compat.py. For compatibility with we have to - # restrict numpy<2. - name: Run tests for ${{ matrix.os}} on ${{ matrix.python-version }} with pandas 1 - runs-on: ${{ matrix.os }} - strategy: - fail-fast: false - matrix: - os: - - ubuntu-latest - python-version: - - '3.10' - steps: - - uses: actions/checkout@v4 - - name: create build environment - uses: mamba-org/setup-micromamba@v1 - with: - environment-file: ./.tools/envs/testenv-pandas.yml - cache-environment: true - create-args: | - python=${{ matrix.python-version }} - - name: run pytest - shell: bash -l {0} - run: | - micromamba activate optimagic - pytest -m "not slow and not jax" - run-tests-with-old-numpy: - # This job is only for testing if optimagic works with numpy<2. Because we already - # test pandas<2 with numpy<2, in this environment we restrict pandas>=2. - name: Run tests for ${{ matrix.os}} on ${{ matrix.python-version }} with numpy 1 - runs-on: ${{ matrix.os }} - strategy: - fail-fast: false - matrix: - os: - - ubuntu-latest - python-version: - - '3.10' + - '312' + - '313' + - '314' steps: - uses: actions/checkout@v4 - - name: create build environment - uses: mamba-org/setup-micromamba@v1 + - uses: prefix-dev/setup-pixi@v0.9.4 with: - environment-file: ./.tools/envs/testenv-numpy.yml - cache-environment: true - create-args: | - python=${{ matrix.python-version }} - - name: run pytest - shell: bash -l {0} - run: | - micromamba activate optimagic - pytest -m "not slow and not jax" + pixi-version: v0.65.0 + cache: true + cache-write: ${{ github.event_name == 'push' && github.ref_name == 'main' }} + frozen: true + environments: tests-py${{ matrix.python-version }} + - name: Run pytest + shell: bash -el {0} + run: pixi run -e tests-py${{ matrix.python-version }} tests-fast run-tests-with-old-plotly: - name: Run tests for ubuntu-latest on 3.10 with plotly < 6 and kaleido < 0.3 + name: Run tests on ubuntu-latest with plotly < 6 runs-on: ubuntu-latest - strategy: - fail-fast: false steps: - uses: actions/checkout@v4 - - name: create build environment - uses: mamba-org/setup-micromamba@v1 + - uses: prefix-dev/setup-pixi@v0.9.4 with: - environment-file: ./.tools/envs/testenv-plotly.yml - cache-environment: true - create-args: | - python=3.10 - - name: run pytest - shell: bash -l {0} - run: | - micromamba activate optimagic - pytest -m "not slow and not jax" + pixi-version: v0.65.0 + cache: true + cache-write: ${{ github.event_name == 'push' && github.ref_name == 'main' }} + frozen: true + environments: tests-old-plotly + - name: Run pytest + shell: bash -el {0} + run: pixi run -e tests-old-plotly tests-fast run-tests-nevergrad: - # This job is for running test related to nevergrad with pinned version of - # bayesian_optimization == 1.4.0 - name: Run tests for ubuntu-latest on ${{ matrix.python-version }} bayes_opt==1.4.0 - runs-on: ${{ matrix.os }} + name: Run nevergrad tests py${{ matrix.python-version }} + runs-on: ubuntu-latest strategy: fail-fast: false matrix: - os: - - ubuntu-latest python-version: - - '3.10' - - '3.11' - - '3.12' - - '3.13' + - '312' + - '313' + - '314' steps: - uses: actions/checkout@v4 - - name: create build environment - uses: mamba-org/setup-micromamba@v1 + - uses: prefix-dev/setup-pixi@v0.9.4 with: - environment-file: ./.tools/envs/testenv-nevergrad.yml - cache-environment: true - create-args: | - python=${{ matrix.python-version }} - - name: run pytest - shell: bash -l {0} - run: | - micromamba activate optimagic + pixi-version: v0.65.0 + cache: true + cache-write: ${{ github.event_name == 'push' && github.ref_name == 'main' }} + frozen: true + environments: tests-nevergrad-py${{ matrix.python-version }} + - name: Run pytest + shell: bash -el {0} + run: >- + pixi run -e tests-nevergrad-py${{ matrix.python-version }} pytest tests/optimagic/optimizers/test_nevergrad.py code-in-docs: name: Run code snippets in documentation runs-on: ubuntu-latest steps: - uses: actions/checkout@v4 - - name: create build environment - uses: mamba-org/setup-micromamba@v1 + - uses: prefix-dev/setup-pixi@v0.9.4 with: - environment-file: ./.tools/envs/testenv-linux.yml - environment-name: optimagic - cache-environment: true - create-args: | - python=3.12 - - name: run sphinx - shell: bash -l {0} - run: |- - micromamba activate optimagic - cd docs/source - python -m doctest -v how_to/how_to_constraints.md + pixi-version: v0.65.0 + cache: true + cache-write: ${{ github.event_name == 'push' && github.ref_name == 'main' }} + frozen: true + environments: tests-linux-py314 + - name: Run doctest + shell: bash -el {0} + run: >- + pixi run -e tests-linux-py314 + python -m doctest -v docs/source/how_to/how_to_constraints.md run-mypy: name: Run mypy runs-on: ubuntu-latest - strategy: - fail-fast: false steps: - uses: actions/checkout@v4 - - name: create build environment - uses: mamba-org/setup-micromamba@v1 + - uses: prefix-dev/setup-pixi@v0.9.4 with: - environment-file: ./.tools/envs/testenv-linux.yml - environment-name: optimagic - cache-environment: true - create-args: | - python=3.10 + pixi-version: v0.65.0 + cache: true + cache-write: ${{ github.event_name == 'push' && github.ref_name == 'main' }} + frozen: true + environments: type-checking - name: Run mypy - shell: bash -l {0} - run: |- - micromamba activate optimagic - mypy + shell: bash -el {0} + run: pixi run -e type-checking mypy diff --git a/.github/workflows/publish-to-pypi.yml b/.github/workflows/publish-to-pypi.yml index c763cb682..0f5933a33 100644 --- a/.github/workflows/publish-to-pypi.yml +++ b/.github/workflows/publish-to-pypi.yml @@ -7,10 +7,10 @@ jobs: runs-on: ubuntu-latest steps: - uses: actions/checkout@v4 - - name: Set up Python 3.10 + - name: Set up Python 3.12 uses: actions/setup-python@v5 with: - python-version: '3.10' + python-version: '3.12' - name: Install pypa/build run: >- python -m diff --git a/.gitignore b/.gitignore index 5c92ba19e..5a6169c6e 100644 --- a/.gitignore +++ b/.gitignore @@ -104,6 +104,7 @@ venv/ ENV/ env.bak/ venv.bak/ +.pixi/ # Spyder project settings .spyderproject diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 68f8ec826..ea6cc9885 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -10,18 +10,10 @@ repos: hooks: - id: yamlfix exclude: tests/optimagic/optimizers/_pounders/fixtures - - repo: local - hooks: - - id: update-environment-files - name: check environment file updates - entry: python .tools/update_envs.py - language: python - always_run: true - require_serial: true - repo: local hooks: - id: check-mypy-versions - name: verify that pre-commits and dev env use the same mypy version + name: verify that pre-commits and pixi use the same mypy version entry: python .tools/check_mypy_versions.py language: python always_run: true @@ -44,7 +36,7 @@ repos: hooks: - id: check-added-large-files args: - - --maxkb=1300 + - --maxkb=2500 exclude: tests/optimagic/optimizers/_pounders/fixtures/ - id: check-case-conflict - id: check-merge-conflict diff --git a/.readthedocs.yml b/.readthedocs.yml index e35e92185..1ba5d0f4b 100644 --- a/.readthedocs.yml +++ b/.readthedocs.yml @@ -1,12 +1,15 @@ --- version: 2 build: - os: ubuntu-22.04 + os: ubuntu-24.04 tools: - python: mambaforge-4.10 -conda: - environment: docs/rtd_environment.yml -sphinx: - builder: html - configuration: docs/source/conf.py - fail_on_warning: false + python: '3.14' + jobs: + create_environment: + - asdf plugin add pixi + - asdf install pixi latest + - asdf global pixi latest + post_build: + - pixi run -e docs build-docs + - mkdir --parents $READTHEDOCS_OUTPUT/html/ + - cp -a docs/build/html/. "$READTHEDOCS_OUTPUT/html" && rm -r docs/build diff --git a/.tools/check_mypy_versions.py b/.tools/check_mypy_versions.py index d85b0b02c..51f1b6993 100644 --- a/.tools/check_mypy_versions.py +++ b/.tools/check_mypy_versions.py @@ -12,29 +12,28 @@ def _get_mypy_version_from_precommit_config() -> str: for hook in config["repos"] if hook["repo"] == "https://github.com/pre-commit/mirrors-mypy" ][0] - match = re.search(r"v([\d.]+)", mypy_config["rev"]) # Remove "v" prefix + match = re.search(r"v([\d.]+)", mypy_config["rev"]) if match: return match.group(1) raise ValueError("Mypy version not found in pre-commit config.") -def _get_mypy_version_from_conda_environment() -> str: - config = yaml.safe_load(Path("environment.yml").read_text()) - mypy_line = [dep for dep in config["dependencies"] if "mypy" in dep][0] - match = re.search(r"mypy=([\d.]+)", mypy_line) +def _get_mypy_version_from_pixi() -> str: + text = Path("pyproject.toml").read_text() + match = re.search(r'mypy\s*=\s*"==([\d.]+)"', text) if match: return match.group(1) - raise ValueError("Mypy version not found in conda environment.") + raise ValueError("Mypy version not found in pyproject.toml pixi config.") def main() -> None: v_precommit = _get_mypy_version_from_precommit_config() - v_conda = _get_mypy_version_from_conda_environment() - if v_precommit != v_conda: + v_pixi = _get_mypy_version_from_pixi() + if v_precommit != v_pixi: print( f"Error: Mypy versions do not match:\n" f" Pre-commit config: {v_precommit}\n" - f" Conda environment: {v_conda}\n" + f" Pixi config: {v_pixi}\n" ) sys.exit(1) sys.exit(0) diff --git a/.tools/envs/testenv-linux.yml b/.tools/envs/testenv-linux.yml deleted file mode 100644 index fcdbb44b5..000000000 --- a/.tools/envs/testenv-linux.yml +++ /dev/null @@ -1,52 +0,0 @@ ---- -name: optimagic -channels: - - conda-forge - - nodefaults -dependencies: - - petsc4py<=3.23.4 - - jax - - cyipopt>=1.4.0 # dev, tests - - pygmo>=2.19.0 # dev, tests, docs - - nlopt # dev, tests, docs - - pip # dev, tests, docs - - pytest # dev, tests - - pytest-cov # tests - - pytest-xdist # dev, tests - - statsmodels # dev, tests - - cloudpickle # run, tests - - joblib # run, tests - - numpy >= 2 # run, tests - - pandas # run, tests - - plotly>=6.2 # run, tests - - matplotlib # tests - - bokeh # tests - - altair # tests - - pybaum>=0.1.2 # run, tests - - scipy>=1.2.1 # run, tests - - sqlalchemy # run, tests - - seaborn # dev, tests - - mypy=1.19.1 # dev, tests - - pyyaml # dev, tests - - jinja2 # dev, tests - - annotated-types # dev, tests - - tranquilo>=0.1.1 # tests - - iminuit # dev, tests - - cma # dev, tests - - pygad # dev, tests - - pytorch-cpu # dev, tests - - pip: # dev, tests, docs - - bayesian-optimization>=2.0.4 # dev, tests - - DFO-LS>=1.5.3 # dev, tests - - Py-BOBYQA # dev, tests - - fides==0.7.4 # dev, tests - - kaleido>=1.0 # dev, tests - - gradient_free_optimizers # dev, tests - - pyswarms # dev, tests - - pandas-stubs # dev, tests - - types-cffi # dev, tests - - types-openpyxl # dev, tests - - types-jinja2 # dev, tests - - sqlalchemy-stubs # dev, tests - - sphinxcontrib-mermaid # dev, tests, docs - - -e ../../ diff --git a/.tools/envs/testenv-nevergrad.yml b/.tools/envs/testenv-nevergrad.yml deleted file mode 100644 index fb26f7861..000000000 --- a/.tools/envs/testenv-nevergrad.yml +++ /dev/null @@ -1,51 +0,0 @@ ---- -name: optimagic -channels: - - conda-forge - - nodefaults -dependencies: - - cyipopt>=1.4.0 # dev, tests - - pygmo>=2.19.0 # dev, tests, docs - - nlopt # dev, tests, docs - - pip # dev, tests, docs - - pytest # dev, tests - - pytest-cov # tests - - pytest-xdist # dev, tests - - statsmodels # dev, tests - - cloudpickle # run, tests - - joblib # run, tests - - numpy >= 2 # run, tests - - pandas # run, tests - - plotly>=6.2 # run, tests - - matplotlib # tests - - bokeh # tests - - altair # tests - - pybaum>=0.1.2 # run, tests - - scipy>=1.2.1 # run, tests - - sqlalchemy # run, tests - - seaborn # dev, tests - - mypy=1.19.1 # dev, tests - - pyyaml # dev, tests - - jinja2 # dev, tests - - annotated-types # dev, tests - - tranquilo>=0.1.1 # tests - - iminuit # dev, tests - - cma # dev, tests - - pygad # dev, tests - - pytorch-cpu # dev, tests - - pip: # dev, tests, docs - - DFO-LS>=1.5.3 # dev, tests - - Py-BOBYQA # dev, tests - - fides==0.7.4 # dev, tests - - kaleido>=1.0 # dev, tests - - gradient_free_optimizers # dev, tests - - pyswarms # dev, tests - - pandas-stubs # dev, tests - - types-cffi # dev, tests - - types-openpyxl # dev, tests - - types-jinja2 # dev, tests - - sqlalchemy-stubs # dev, tests - - sphinxcontrib-mermaid # dev, tests, docs - - bayesian_optimization==1.4.0 - - nevergrad - - -e ../../ diff --git a/.tools/envs/testenv-numpy.yml b/.tools/envs/testenv-numpy.yml deleted file mode 100644 index 516a333c2..000000000 --- a/.tools/envs/testenv-numpy.yml +++ /dev/null @@ -1,49 +0,0 @@ ---- -name: optimagic -channels: - - conda-forge - - nodefaults -dependencies: - - pandas>=2 - - numpy<2 - - cyipopt>=1.4.0 # dev, tests - - pygmo>=2.19.0 # dev, tests, docs - - nlopt # dev, tests, docs - - pip # dev, tests, docs - - pytest # dev, tests - - pytest-cov # tests - - pytest-xdist # dev, tests - - statsmodels # dev, tests - - cloudpickle # run, tests - - joblib # run, tests - - plotly>=6.2 # run, tests - - matplotlib # tests - - bokeh # tests - - altair # tests - - pybaum>=0.1.2 # run, tests - - scipy>=1.2.1 # run, tests - - sqlalchemy # run, tests - - seaborn # dev, tests - - mypy=1.19.1 # dev, tests - - pyyaml # dev, tests - - jinja2 # dev, tests - - annotated-types # dev, tests - - tranquilo>=0.1.1 # tests - - iminuit # dev, tests - - cma # dev, tests - - pygad # dev, tests - - pytorch-cpu # dev, tests - - pip: # dev, tests, docs - - bayesian-optimization>=2.0.4 # dev, tests - - DFO-LS>=1.5.3 # dev, tests - - Py-BOBYQA # dev, tests - - fides==0.7.4 # dev, tests - - kaleido>=1.0 # dev, tests - - gradient_free_optimizers # dev, tests - - pyswarms # dev, tests - - types-cffi # dev, tests - - types-openpyxl # dev, tests - - types-jinja2 # dev, tests - - sqlalchemy-stubs # dev, tests - - sphinxcontrib-mermaid # dev, tests, docs - - -e ../../ diff --git a/.tools/envs/testenv-others.yml b/.tools/envs/testenv-others.yml deleted file mode 100644 index 6786f831d..000000000 --- a/.tools/envs/testenv-others.yml +++ /dev/null @@ -1,50 +0,0 @@ ---- -name: optimagic -channels: - - conda-forge - - nodefaults -dependencies: - - cyipopt>=1.4.0 # dev, tests - - pygmo>=2.19.0 # dev, tests, docs - - nlopt # dev, tests, docs - - pip # dev, tests, docs - - pytest # dev, tests - - pytest-cov # tests - - pytest-xdist # dev, tests - - statsmodels # dev, tests - - cloudpickle # run, tests - - joblib # run, tests - - numpy >= 2 # run, tests - - pandas # run, tests - - plotly>=6.2 # run, tests - - matplotlib # tests - - bokeh # tests - - altair # tests - - pybaum>=0.1.2 # run, tests - - scipy>=1.2.1 # run, tests - - sqlalchemy # run, tests - - seaborn # dev, tests - - mypy=1.19.1 # dev, tests - - pyyaml # dev, tests - - jinja2 # dev, tests - - annotated-types # dev, tests - - tranquilo>=0.1.1 # tests - - iminuit # dev, tests - - cma # dev, tests - - pygad # dev, tests - - pytorch-cpu # dev, tests - - pip: # dev, tests, docs - - bayesian-optimization>=2.0.4 # dev, tests - - DFO-LS>=1.5.3 # dev, tests - - Py-BOBYQA # dev, tests - - fides==0.7.4 # dev, tests - - kaleido>=1.0 # dev, tests - - gradient_free_optimizers # dev, tests - - pyswarms # dev, tests - - pandas-stubs # dev, tests - - types-cffi # dev, tests - - types-openpyxl # dev, tests - - types-jinja2 # dev, tests - - sqlalchemy-stubs # dev, tests - - sphinxcontrib-mermaid # dev, tests, docs - - -e ../../ diff --git a/.tools/envs/testenv-pandas.yml b/.tools/envs/testenv-pandas.yml deleted file mode 100644 index ead41b5eb..000000000 --- a/.tools/envs/testenv-pandas.yml +++ /dev/null @@ -1,49 +0,0 @@ ---- -name: optimagic -channels: - - conda-forge - - nodefaults -dependencies: - - pandas<2 - - numpy<2 - - cyipopt>=1.4.0 # dev, tests - - pygmo>=2.19.0 # dev, tests, docs - - nlopt # dev, tests, docs - - pip # dev, tests, docs - - pytest # dev, tests - - pytest-cov # tests - - pytest-xdist # dev, tests - - statsmodels # dev, tests - - cloudpickle # run, tests - - joblib # run, tests - - plotly>=6.2 # run, tests - - matplotlib # tests - - bokeh # tests - - altair # tests - - pybaum>=0.1.2 # run, tests - - scipy>=1.2.1 # run, tests - - sqlalchemy # run, tests - - seaborn # dev, tests - - mypy=1.19.1 # dev, tests - - pyyaml # dev, tests - - jinja2 # dev, tests - - annotated-types # dev, tests - - tranquilo>=0.1.1 # tests - - iminuit # dev, tests - - cma # dev, tests - - pygad # dev, tests - - pytorch-cpu # dev, tests - - pip: # dev, tests, docs - - bayesian-optimization>=2.0.4 # dev, tests - - DFO-LS>=1.5.3 # dev, tests - - Py-BOBYQA # dev, tests - - fides==0.7.4 # dev, tests - - kaleido>=1.0 # dev, tests - - gradient_free_optimizers # dev, tests - - pyswarms # dev, tests - - types-cffi # dev, tests - - types-openpyxl # dev, tests - - types-jinja2 # dev, tests - - sqlalchemy-stubs # dev, tests - - sphinxcontrib-mermaid # dev, tests, docs - - -e ../../ diff --git a/.tools/envs/testenv-plotly.yml b/.tools/envs/testenv-plotly.yml deleted file mode 100644 index b25f14475..000000000 --- a/.tools/envs/testenv-plotly.yml +++ /dev/null @@ -1,50 +0,0 @@ ---- -name: optimagic -channels: - - conda-forge - - nodefaults -dependencies: - - plotly<6 - - cyipopt>=1.4.0 # dev, tests - - pygmo>=2.19.0 # dev, tests, docs - - nlopt # dev, tests, docs - - pip # dev, tests, docs - - pytest # dev, tests - - pytest-cov # tests - - pytest-xdist # dev, tests - - statsmodels # dev, tests - - cloudpickle # run, tests - - joblib # run, tests - - numpy >= 2 # run, tests - - pandas # run, tests - - matplotlib # tests - - bokeh # tests - - altair # tests - - pybaum>=0.1.2 # run, tests - - scipy>=1.2.1 # run, tests - - sqlalchemy # run, tests - - seaborn # dev, tests - - mypy=1.19.1 # dev, tests - - pyyaml # dev, tests - - jinja2 # dev, tests - - annotated-types # dev, tests - - tranquilo>=0.1.1 # tests - - iminuit # dev, tests - - cma # dev, tests - - pygad # dev, tests - - pytorch-cpu # dev, tests - - pip: # dev, tests, docs - - bayesian-optimization>=2.0.4 # dev, tests - - DFO-LS>=1.5.3 # dev, tests - - Py-BOBYQA # dev, tests - - fides==0.7.4 # dev, tests - - gradient_free_optimizers # dev, tests - - pyswarms # dev, tests - - pandas-stubs # dev, tests - - types-cffi # dev, tests - - types-openpyxl # dev, tests - - types-jinja2 # dev, tests - - sqlalchemy-stubs # dev, tests - - sphinxcontrib-mermaid # dev, tests, docs - - kaleido<0.3 - - -e ../../ diff --git a/.tools/update_envs.py b/.tools/update_envs.py deleted file mode 100644 index d2cb813fe..000000000 --- a/.tools/update_envs.py +++ /dev/null @@ -1,91 +0,0 @@ -from copy import deepcopy -from pathlib import Path - - -def _keep_line(line: str, flag: str) -> bool: - """Return True if line contains flag and does not include a comment. - - Examples: - >>> assert _keep_line(" - jax # tests", "tests") is True - >>> assert _keep_line("name: env", "tests") is True - >>> assert _keep_line(" - jax # run", "tests") is False - - """ - return flag in line or "#" not in line - - -def main() -> None: - lines = Path("environment.yml").read_text().splitlines() - - # create standard testing environments - - test_env = [line for line in lines if _keep_line(line, "tests")] - test_env.append(" - -e ../../") # add local installation - - # find index to insert additional dependencies - _insert_idx = [i for i, line in enumerate(lines) if "dependencies:" in line][0] + 1 - _insert_idx_pip = [i for i, line in enumerate(lines) if " - pip:" in line][0] + 1 - - ## linux - test_env_linux = deepcopy(test_env) - test_env_linux.insert(_insert_idx, " - jax") - # pinned petsc4py due to failing test on python 3.11 , revert later - test_env_linux.insert(_insert_idx, " - petsc4py<=3.23.4") - - ## test environment others - test_env_others = deepcopy(test_env) - - ## test environment for pandas version < 2 (requires numpy < 2) - test_env_pandas = deepcopy(test_env) - for pkg in ["numpy", "pandas"]: - test_env_pandas = [line for line in test_env_pandas if pkg not in line] - test_env_pandas.insert(_insert_idx, f" - {pkg}<2") - - ## test environment for numpy version < 2 (with pandas >= 2) - test_env_numpy = deepcopy(test_env) - for pkg in ["numpy", "pandas"]: - test_env_numpy = [line for line in test_env_numpy if pkg not in line] - test_env_numpy.insert(_insert_idx, " - numpy<2") - test_env_numpy.insert(_insert_idx, " - pandas>=2") - - ## test environment for plotly < 6, kaleido < 1.0 - test_env_plotly = deepcopy(test_env) - for pkg in ["plotly", "kaleido"]: - test_env_plotly = [line for line in test_env_plotly if pkg not in line] - test_env_plotly.insert(_insert_idx, " - plotly<6") - test_env_plotly.insert(_insert_idx_pip, " - kaleido<0.3") - - test_env_nevergrad = deepcopy(test_env) - for pkg in ["bayesian-optimization"]: - test_env_nevergrad = [line for line in test_env_nevergrad if pkg not in line] - test_env_nevergrad.insert(_insert_idx_pip, " - nevergrad") - test_env_nevergrad.insert( - _insert_idx_pip, " - bayesian_optimization==1.4.0" - ) - - # test environment for documentation - docs_env = [line for line in lines if _keep_line(line, "docs")] - docs_env.append(" - -e ../../") # add local installation - - # write environments - for name, env in zip( - ["linux", "others", "pandas", "numpy", "plotly", "nevergrad"], - [ - test_env_linux, - test_env_others, - test_env_pandas, - test_env_numpy, - test_env_plotly, - test_env_nevergrad, - ], - strict=False, - ): - # Specify newline to avoid wrong line endings on Windows. - # See: https://stackoverflow.com/a/69869641 - Path(f".tools/envs/testenv-{name}.yml").write_text( - "\n".join(env) + "\n", newline="\n" - ) - - -if __name__ == "__main__": - main() diff --git a/docs/rtd_environment.yml b/docs/rtd_environment.yml deleted file mode 100644 index b7e969bff..000000000 --- a/docs/rtd_environment.yml +++ /dev/null @@ -1,49 +0,0 @@ ---- -name: optimagic-docs -channels: - - conda-forge - - nodefaults -dependencies: - - python=3.12 - - typing-extensions - - pip - - setuptools_scm - - toml - - sphinx>=8.2.3 - - sphinxcontrib-bibtex - - sphinx-copybutton - - sphinx-design - - sphinx-llm - - sphinx-llms-txt - - ipython - - ipython_genutils - - myst-nb - - furo - - pybaum - - matplotlib - - bokeh - - altair - - anywidget - - seaborn - - numpy - - pandas - - scipy - - patsy - - joblib - - plotly>=6.2 - - nlopt - - annotated-types - - pygmo>=2.19.0 - - pip: - - -e ../ - - Py-BOBYQA - - DFO-LS - - pandas-stubs # dev, tests - - types-cffi # dev, tests - - types-openpyxl # dev, tests - - types-jinja2 # dev, tests - - sqlalchemy-stubs # dev, tests - - sphinxcontrib-mermaid # dev, tests, docs - - intersphinx-registry # docs - - fides==0.7.4 # dev, tests - - bayesian-optimization # dev, tests diff --git a/docs/source/development/how_to_contribute.md b/docs/source/development/how_to_contribute.md index e32d1c309..46c68c2b7 100644 --- a/docs/source/development/how_to_contribute.md +++ b/docs/source/development/how_to_contribute.md @@ -37,20 +37,35 @@ contribution process (see Notes below). For regular contributors: **Clone** the [repository](https://github.com/optimagic-dev/optimagic/) to your local machine and create a new branch for implementing your changes. You can push your branch directly to the remote optimagic repository and open a PR from there. ``` -2. Clone your forked repository to your disk. This is where you'll make all your +1. Clone your forked repository to your disk. This is where you'll make all your changes. 1. Open your terminal and execute the following commands from the root directory of your local optimagic repository: ```console - $ conda env create -f environment.yml - $ conda activate optimagic $ pre-commit install ``` - These commands install optimagic in editable mode and activate pre-commit hooks for - linting and style formatting. + This activates pre-commit hooks for linting and style formatting. + + ```{note} + `pre-commit` is not managed by pixi and must be installed globally. We recommend + installing it globally using pixi or uv. + ``` + + You can then run the test suite with: + + ```console + $ pixi run tests + ``` + + which installs the development dependencies and runs pytest. To see all available + pixi tasks, run: + + ```console + $ pixi task list + ``` 1. Implement your fix or feature. Use git to add, commit, and push your changes to the remote repository. For more on git and how to stage and commit your work, refer to @@ -60,18 +75,14 @@ For regular contributors: **Clone** the [repository](https://github.com/optimagi 1. Contributions are validated in two main ways. We run a comprehensive test suite to ensure compatibility with the existing codebase and employ [pre-commit hooks](https://effective-programming-practices.vercel.app/git/pre_commits/objectives_materials.html) - to maintain quality and adherence to our style guidelines. Opening a PR (see - paragraph 7 below) triggers optimagic's + to maintain quality and adherence to our style guidelines. Opening a PR (see below) + triggers optimagic's [Continuous Integration (CI)](https://docs.github.com/en/actions/automating-builds-and-tests/about-continuous-integration) - workflow, which runs the full `pytest` suite, pre-commit hooks, and other checks on a + workflow, which runs the full test suite, pre-commit hooks, and other checks on a remote server. You can also run the test suite locally for - [debugging](https://effective-programming-practices.vercel.app/debugging/pdbp/objectives_materials.html): - - ```console - $ pytest - ``` + [debugging](https://effective-programming-practices.vercel.app/debugging/pdbp/objectives_materials.html). With pre-commit installed, linters run before each commit. Commits are rejected if any checks fail. Note that some linters may automatically fix errors by modifying the @@ -81,25 +92,16 @@ For regular contributors: **Clone** the [repository](https://github.com/optimagi Skip the next paragraph if you haven't worked on the documentation. ``` -6. Assuming you have updated the documentation, verify that it builds correctly. From - the root directory of your local optimagic repo, navigate to the docs folder and set - up the optimagic-docs environment: - - ```console - $ conda env create -f rtd_environment.yml - $ conda activate optimagic-docs - ``` - - Inside the `docs` folder, run: +1. Assuming you have updated the documentation, verify that it builds correctly. Run: ```console - $ make html + $ pixi run build-docs ``` - This command builds the HTML documentation, saving all files in the `build/html` + This command builds the HTML documentation, saving all files in the `docs/build/html` directory. You can view the documentation with your preferred web browser by opening - `build/html/index.html` or any other file. Similar to the online documentation, you - can navigate to different pages simply by clicking on the links. + `docs/build/html/index.html` or any other file. Similar to the online documentation, + you can navigate to different pages simply by clicking on the links. 1. Once all tests and pre-commit hooks pass locally, push your changes to your forked repository and create a pull request through GitHub: Go to the Github repository of diff --git a/docs/source/how_to/how_to_add_optimizers.ipynb b/docs/source/how_to/how_to_add_optimizers.ipynb index fd90a72e5..86f926743 100644 --- a/docs/source/how_to/how_to_add_optimizers.ipynb +++ b/docs/source/how_to/how_to_add_optimizers.ipynb @@ -620,33 +620,7 @@ { "cell_type": "markdown", "metadata": {}, - "source": [ - "## 6. Integrate your code into optimagic\n", - "\n", - "So far you could have worked in a Jupyter Notebook. Integrating your code into \n", - "optimagic only requires a few small changes:\n", - "\n", - "1. Add new dependencies to the `environment.yml` file and run \n", - "`pre-commit run --all-files`. This will trigger a script that adds the dependencies to \n", - "multiple environments we need for continuous integration. Then re-create the enviroment \n", - "to make sure that the environment is the same as we will use for continuous integration.\n", - "If your dependencies don't work on all platforms (e.g. linux only packages), skip this\n", - "entire step and reach out to a core contributor for help. \n", - "2. Save the code for your algorithm wrapper in a .py file in `optimagic.algorithms`. \n", - "Use an existing file if you wrap another algorithm from a library we already had. \n", - "Otherwise, create a new file. \n", - "3. Run `pre-commit run --all-files`. This will trigger an automatic code generation \n", - "that fully integrates your wrapper into our algorithm selection tool.\n", - "4. Run `pytest`. This will run at least a few tests for your new algorithm. Add more \n", - "tests for algorithm specific things (e.g. tests that make sure tuning parameters have \n", - "the intended effects). \n", - "5. Write documentation. The documentation should contain everything you figured out in \n", - "step 2. You can either write it into the docstring of your algorithm class (preferred, \n", - "as this is what we will do for all algorithms in the long run) or in `algorithms.md` \n", - "in the documentation. \n", - "6. Create a pull request [in the optimagic repository](https://github.com/optimagic-dev/optimagic)\n", - "and ask for a review. " - ] + "source": "## 6. Integrate your code into optimagic\n\nSo far you could have worked in a Jupyter Notebook. Integrating your code into\noptimagic only requires a few small changes:\n\n1. Add new dependencies to the `[tool.pixi.feature.test.dependencies]` section of\n`pyproject.toml` and run `pixi install` to update the lock file. Then re-create the\nenvironment to make sure that the environment is the same as we will use for continuous\nintegration. If your dependencies don't work on all platforms (e.g. linux only packages),\nskip this entire step and reach out to a core contributor for help.\n2. Save the code for your algorithm wrapper in a .py file in `optimagic.algorithms`.\nUse an existing file if you wrap another algorithm from a library we already had.\nOtherwise, create a new file.\n3. Run `pre-commit run --all-files`. This will trigger an automatic code generation\nthat fully integrates your wrapper into our algorithm selection tool.\n4. Run `pytest`. This will run at least a few tests for your new algorithm. Add more\ntests for algorithm specific things (e.g. tests that make sure tuning parameters have\nthe intended effects).\n5. Write documentation. The documentation should contain everything you figured out in\nstep 2. You can either write it into the docstring of your algorithm class (preferred,\nas this is what we will do for all algorithms in the long run) or in `algorithms.md`\nin the documentation.\n6. Create a pull request [in the optimagic repository](https://github.com/optimagic-dev/optimagic)\nand ask for a review." } ], "metadata": { diff --git a/environment.yml b/environment.yml deleted file mode 100644 index 7d855693a..000000000 --- a/environment.yml +++ /dev/null @@ -1,66 +0,0 @@ ---- -name: optimagic -channels: - - conda-forge - - nodefaults -dependencies: - - python=3.10 # dev - - cyipopt>=1.4.0 # dev, tests - - pygmo>=2.19.0 # dev, tests, docs - - jupyterlab # dev, docs - - nlopt # dev, tests, docs - - pip # dev, tests, docs - - pytest # dev, tests - - pytest-cov # tests - - pytest-xdist # dev, tests - - setuptools_scm # dev - - statsmodels # dev, tests - - toml # dev - - cloudpickle # run, tests - - joblib # run, tests - - numpy >= 2 # run, tests - - pandas # run, tests - - plotly>=6.2 # run, tests - - matplotlib # tests - - bokeh # tests - - altair # tests - - pybaum>=0.1.2 # run, tests - - scipy>=1.2.1 # run, tests - - sqlalchemy # run, tests - - myst-nb # docs - - sphinx # docs - - sphinx-copybutton # docs - - sphinx-design # docs - - sphinx-panels # docs - - sphinxcontrib-bibtex # docs - - intersphinx-registry # docs - - seaborn # dev, tests - - mypy=1.19.1 # dev, tests - - pyyaml # dev, tests - - jinja2 # dev, tests - - furo # dev, docs - - annotated-types # dev, tests - - tranquilo>=0.1.1 # tests - - iminuit # dev, tests - - cma # dev, tests - - pygad # dev, tests - - pytorch-cpu # dev, tests - - pip: # dev, tests, docs - - bayesian-optimization>=2.0.4 # dev, tests - # - nevergrad # incompatible with bayesian-optimization>=2.0.4 - - DFO-LS>=1.5.3 # dev, tests - - Py-BOBYQA # dev, tests - - fides==0.7.4 # dev, tests - - kaleido>=1.0 # dev, tests - - pre-commit>=4 # dev - - gradient_free_optimizers # dev, tests - - pyswarms # dev, tests - - -e . # dev - # type stubs - - pandas-stubs # dev, tests - - types-cffi # dev, tests - - types-openpyxl # dev, tests - - types-jinja2 # dev, tests - - sqlalchemy-stubs # dev, tests - - sphinxcontrib-mermaid # 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"cloudpickle", - "joblib", - "numpy", - "pandas", - "plotly", + "cloudpickle>=2.2", + "joblib>=1.1", + "numpy>=1.26", + "pandas>=2.1", + "plotly>=5.14", "pybaum>=0.1.2", - "scipy>=1.2.1", - "sqlalchemy>=1.3", - "annotated-types", - "typing-extensions", + "scipy>=1.11", + "sqlalchemy>=2.0", + "annotated-types>=0.4", + "typing-extensions>=4.5", ] dynamic = ["version"] keywords = [ @@ -40,10 +40,9 @@ classifiers = [ "Operating System :: MacOS :: MacOS X", "Operating System :: Microsoft :: Windows", "Operating System :: POSIX", - "Programming Language :: Python :: 3.10", - "Programming Language :: Python :: 3.11", "Programming Language :: Python :: 3.12", "Programming Language :: Python :: 3.13", + "Programming Language :: Python :: 3.14", "Topic :: Scientific/Engineering", ] authors = [ @@ -96,7 +95,7 @@ allow-direct-references = true # Ruff configuration # ====================================================================================== [tool.ruff] -target-version = "py310" +target-version = "py312" fix = true [tool.ruff.lint] @@ -392,3 +391,142 @@ module = [ "gradient_free_optimizers.optimizers.base_optimizer", ] ignore_missing_imports = true + + +# ====================================================================================== +# Pixi configuration +# ====================================================================================== +[tool.pixi.workspace] +channels = ["conda-forge"] +platforms = ["linux-64", "osx-arm64", "win-64"] + +# --- Base dependencies (all environments) ------------------------------------------- +[tool.pixi.dependencies] +python = ">=3.12,<3.15" +# Prefer conda-forge builds for compiled scientific packages +numpy = ">=2.0.0" +scipy = ">=1.11" +pandas = ">=2.1,<3" +jupyterlab = ">=4.0" +cyipopt = ">=1.4.0" +pygmo = ">=2.19.0" +nlopt = ">=2.7" +statsmodels = ">=0.14" +matplotlib = ">=3.8" +bokeh = ">=3.2" +altair = ">=5.1" +seaborn = ">=0.13" +pyyaml = ">=6.0.1" +jinja2 = ">=3.1" +tranquilo = ">=0.1.1" +iminuit = ">=2.25" +cma = ">=3.3" +pygad = ">=3.2" +pytorch-cpu = ">=2.2" + +[tool.pixi.pypi-dependencies] +optimagic = { path = ".", editable = true } +pdbp = "*" +bayesian-optimization = ">=1.4" +dfo-ls = ">=1.5.3" +py-bobyqa = ">=1.3" +fides = "==0.7.4" +kaleido = ">=0.2.1" +gradient-free-optimizers = ">=1.6.0" +pyswarms = ">=1.3" + +# --- Python version features -------------------------------------------------------- +[tool.pixi.feature.py312.dependencies] +python = "~=3.12.0" +[tool.pixi.feature.py313.dependencies] +python = "~=3.13.0" +[tool.pixi.feature.py314.dependencies] +python = "~=3.14.0" + +# --- Feature: tests (test infrastructure) -------------------------------------------- +[tool.pixi.feature.tests.dependencies] +pytest = ">=7.2" +pytest-cov = ">=4.0" +pytest-xdist = ">=3.2" + +[tool.pixi.feature.tests.tasks] +tests = { cmd = "pytest", description = "Run the full test suite" } +tests-fast = { cmd = "pytest -m 'not slow and not jax'", description = "Run tests excluding slow and jax tests" } +tests-with-cov = { cmd = "pytest --cov-report=xml --cov=src", description = "Run tests with XML coverage report" } + +# --- Feature: type-checking (mypy + type stubs) -------------------------------------- +[tool.pixi.feature.type-checking.dependencies] +mypy = "==1.19.1" + +[tool.pixi.feature.type-checking.pypi-dependencies] +pandas-stubs = "*" +types-cffi = "*" +types-openpyxl = "*" +types-jinja2 = "*" +sqlalchemy-stubs = "*" + +[tool.pixi.feature.type-checking.tasks] +mypy = { cmd = "mypy", description = "Run mypy type checker" } + +# --- Feature: linux (Linux-only deps) ------------------------------------------------ +[tool.pixi.feature.linux] +platforms = ["linux-64"] +[tool.pixi.feature.linux.dependencies] +jax = ">=0.4.8" +petsc4py = ">=3.18" + +# --- Feature: docs ------------------------------------------------------------------- +[tool.pixi.feature.docs.dependencies] +sphinx = ">=8.2.3" +sphinxcontrib-bibtex = "*" +sphinx-copybutton = "*" +sphinx-design = "*" +sphinx-llm = "*" +sphinx-llms-txt = "*" +ipython = "*" +ipython_genutils = "*" +myst-nb = "*" +furo = "*" +anywidget = "*" +patsy = "*" + +[tool.pixi.feature.docs.pypi-dependencies] +sphinxcontrib-mermaid = "*" +intersphinx-registry = "*" + +[tool.pixi.feature.docs.tasks] +build-docs = { cmd = "make html", cwd = "docs", description = "Build the HTML documentation" } + +# --- Compat features (version overrides for backward-compat CI) --------------------- +[tool.pixi.feature.old-plotly.dependencies] +plotly = "<6" + +[tool.pixi.feature.old-plotly.pypi-dependencies] +kaleido = "<0.3" + +[tool.pixi.feature.nevergrad.pypi-dependencies] +bayesian-optimization = "==1.4.0" +nevergrad = "*" + +# --- Environments -------------------------------------------------------------------- +[tool.pixi.environments] +# Default dev environment (Python 3.14, everything) +default = { features = ["tests", "py314"], solve-group = "py314" } +# Linux CI (with JAX + PETSc) +tests-linux-py312 = { features = ["tests", "linux", "py312"], solve-group = "linux-py312" } +tests-linux-py313 = { features = ["tests", "linux", "py313"], solve-group = "linux-py313" } +tests-linux-py314 = { features = ["tests", "linux", "py314"], solve-group = "linux-py314" } +# macOS/Windows CI +tests-py312 = { features = ["tests", "py312"], solve-group = "py312" } +tests-py313 = { features = ["tests", "py313"], solve-group = "py313" } +tests-py314 = { features = ["tests", "py314"], solve-group = "py314" } +# Backward-compat CI (Python 3.12, lowest supported) +tests-old-plotly = { features = ["tests", "old-plotly", "py312"] } +# Nevergrad CI (bayesian-optimization==1.4.0) +tests-nevergrad-py312 = { features = ["tests", "nevergrad", "py312"] } +tests-nevergrad-py313 = { features = ["tests", "nevergrad", "py313"] } +tests-nevergrad-py314 = { features = ["tests", "nevergrad", "py314"] } +# Type checking +type-checking = { features = ["type-checking", "py314"], solve-group = "py314" } +# Docs +docs = { features = ["docs", "py314"], solve-group = "py314" } diff --git a/src/optimagic/algorithms.py b/src/optimagic/algorithms.py index 795046950..ed68c9e34 100644 --- a/src/optimagic/algorithms.py +++ b/src/optimagic/algorithms.py @@ -214,7 +214,7 @@ class BoundedGlobalGradientFreeParallelScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -441,7 +441,7 @@ class BoundedGlobalGradientFreeScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -497,7 +497,7 @@ class BoundedGlobalGradientFreeParallelAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -569,7 +569,7 @@ class GlobalGradientFreeParallelScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -733,7 +733,7 @@ class BoundedGradientFreeParallelScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -844,7 +844,7 @@ class BoundedGlobalParallelScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -1204,7 +1204,7 @@ class BoundedGlobalGradientFreeAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -1301,7 +1301,7 @@ class GlobalGradientFreeScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -1361,7 +1361,7 @@ class GlobalGradientFreeParallelAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -1560,7 +1560,7 @@ class BoundedGradientFreeScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -1648,7 +1648,7 @@ class BoundedGradientFreeParallelAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -1746,7 +1746,7 @@ class GradientFreeParallelScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -1848,7 +1848,7 @@ class BoundedGlobalScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -1913,7 +1913,7 @@ class BoundedGlobalParallelAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -1998,7 +1998,7 @@ class GlobalParallelScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -2249,7 +2249,7 @@ class BoundedParallelScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -2541,7 +2541,7 @@ class GlobalGradientFreeAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -2662,7 +2662,7 @@ class BoundedGradientFreeAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -2792,7 +2792,7 @@ class GradientFreeScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -2889,7 +2889,7 @@ class GradientFreeParallelAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -2962,7 +2962,7 @@ class BoundedGlobalAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -3077,7 +3077,7 @@ class GlobalScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -3146,7 +3146,7 @@ class GlobalParallelAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -3444,7 +3444,7 @@ class BoundedScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -3561,7 +3561,7 @@ class BoundedParallelAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -3679,7 +3679,7 @@ class ParallelScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -3820,7 +3820,7 @@ class GradientFreeAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -3924,7 +3924,7 @@ class GlobalAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -4091,7 +4091,7 @@ class BoundedAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -4261,7 +4261,7 @@ class ScalarAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -4406,7 +4406,7 @@ class ParallelAlgorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch @@ -4488,7 +4488,7 @@ class Algorithms(AlgoSelection): nevergrad_eda: Type[NevergradEDA] = NevergradEDA nevergrad_emna: Type[NevergradEMNA] = NevergradEMNA nevergrad_meta: Type[NevergradMeta] = NevergradMeta - nevergrad_NGOpt: Type[NevergradNGOpt] = NevergradNGOpt + nevergrad_ngopt: Type[NevergradNGOpt] = NevergradNGOpt nevergrad_oneplusone: Type[NevergradOnePlusOne] = NevergradOnePlusOne nevergrad_pso: Type[NevergradPSO] = NevergradPSO nevergrad_randomsearch: Type[NevergradRandomSearch] = NevergradRandomSearch diff --git a/src/optimagic/config.py b/src/optimagic/config.py index e75f11f62..859ef3803 100644 --- a/src/optimagic/config.py +++ b/src/optimagic/config.py @@ -1,9 +1,7 @@ import importlib.util from pathlib import Path -import pandas as pd import plotly.express as px -from packaging import version DOCS_DIR = Path(__file__).parent.parent / "docs" OPTIMAGIC_ROOT = Path(__file__).parent @@ -74,11 +72,3 @@ def _is_installed(module_name: str) -> bool: IS_MATPLOTLIB_INSTALLED = _is_installed("matplotlib") IS_BOKEH_INSTALLED = _is_installed("bokeh") IS_ALTAIR_INSTALLED = _is_installed("altair") - -# ====================================================================================== -# Check if pandas version is newer or equal to version 2.1.0 -# ====================================================================================== - -IS_PANDAS_VERSION_NEWER_OR_EQUAL_TO_2_1_0 = version.parse( - pd.__version__ -) >= version.parse("2.1.0") diff --git a/src/optimagic/optimization/history.py b/src/optimagic/optimization/history.py index b0b850dc2..73bea2d93 100644 --- a/src/optimagic/optimization/history.py +++ b/src/optimagic/optimization/history.py @@ -517,7 +517,7 @@ def _apply_reduction_to_batches( ) raise ValueError(msg) - batch_results.append(reduced) + batch_results.append(float(reduced)) # type: ignore[arg-type,unused-ignore] return np.array(batch_results, dtype=np.float64) diff --git a/src/optimagic/shared/compat.py b/src/optimagic/shared/compat.py index 324d2e511..9a561283d 100644 --- a/src/optimagic/shared/compat.py +++ b/src/optimagic/shared/compat.py @@ -5,8 +5,6 @@ """ -from optimagic.config import IS_PANDAS_VERSION_NEWER_OR_EQUAL_TO_2_1_0 - def pd_df_map(df, func, na_action=None, **kwargs): """Apply a function to a Dataframe elementwise. @@ -26,8 +24,4 @@ def pd_df_map(df, func, na_action=None, **kwargs): pd.DataFrame: Transformed DataFrame. """ - if IS_PANDAS_VERSION_NEWER_OR_EQUAL_TO_2_1_0: - out = df.map(func, na_action=na_action, **kwargs) - else: - out = df.applymap(func, na_action=na_action, **kwargs) - return out + return df.map(func, na_action=na_action, **kwargs) diff --git a/src/optimagic/visualization/slice_plot_3d.py b/src/optimagic/visualization/slice_plot_3d.py index ce3be5615..1b6a7fc90 100644 --- a/src/optimagic/visualization/slice_plot_3d.py +++ b/src/optimagic/visualization/slice_plot_3d.py @@ -799,7 +799,7 @@ def combine_plots( # type: ignore[no-untyped-def] ) if shared_y and all_y: - y_range = compute_yaxis_range(np.concatenate(all_y), expand_yrange) + y_range = compute_yaxis_range(np.concatenate(all_y).tolist(), expand_yrange) fig.update_yaxes(range=y_range) if shared_x and all_x: x_all = np.concatenate(all_x)